2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline

C15H24ClNO — CID 55004666

IUPAC2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
SMILESCCC(CC)N(CCOC)c1ccccc1CCl
InChIInChI=1S/C15H24ClNO/c1-4-14(5-2)17(10-11-18-3)15-9-7-6-8-13(15)12-16/h6-9,14H,4-5,10-12H2,1-3H3
InChIKeyYCGBIYPLWMGMDE-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.07
Rot. Bonds8

About 2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline

2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline (PubChem CID 55004666) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline.

Molecular Properties

Compound Name2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
PubChem CID55004666
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
SMILESCCC(CC)N(CCOC)c1ccccc1CCl
InChIInChI=1S/C15H24ClNO/c1-4-14(5-2)17(10-11-18-3)15-9-7-6-8-13(15)12-16/h6-9,14H,4-5,10-12H2,1-3H3
InChIKeyYCGBIYPLWMGMDE-UHFFFAOYSA-N
XLogP4.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminopropyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 63816723
3-bromo-4-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 114060497
1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine
CID 114041232
3-[2-(chloromethyl)-N-(2-methoxyethyl)anilino]propanenitrile
CID 63285124
6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
CID 55052887
5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
CID 55003117
2-bromo-6-[2-methoxyethyl(pentan-3-yl)amino]benzonitrile
CID 114880843
2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82960379
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine
CID 55004103
5-bromo-2-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005331
4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine
CID 105067390
2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 103959097

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline?
The IUPAC name of 2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline (CID 55004666) is 2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline.
What is the SMILES notation for 2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline?
The canonical SMILES for 2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline is CCC(CC)N(CCOC)c1ccccc1CCl.
What is the InChIKey of 2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline?
The InChIKey is YCGBIYPLWMGMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-14(5-2)17(10-11-18-3)15-9-7-6-8-13(15)12-16/h6-9,14H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline?
2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline has a molecular weight of 269.82 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylaniline is sourced from PubChem (CID 55004666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).